SCHEMBL4959079

SCHEMBL4959079

CCCCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)O)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.80
LMNA P02545 2/20 0.80
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
BLM P54132 1/20 0.67
ALDH1A1 P00352 1/20 0.65
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2D6 P10635 1/20 0.61
PDE10A Q9Y233 6/20 0.59
AGTR1 P30556 1/20 0.56
AGTR2 P50052 1/20 0.56
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
GFER P55789 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4956845 0.91 LMNA (0.77) MAPK1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4957089 0.89 LMNA (1.00) MAPK1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4958333 0.89 LMNA (0.73) MAPK1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4957073 0.86 LMNA (0.77) MAPK1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4958242 0.85 LMNA (0.80) MAPK1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4958937 0.85 LMNA (0.80) MAPK1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4958462 0.85 LMNA (0.80) MAPK1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4958923 0.85 LMNA (0.80) MAPK1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4955782 0.84 LMNA (0.73) MAPK1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4955785 0.84 LMNA (0.73) MAPK1LMNAMEN1KMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008094909-A2 QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-07 WO claimed
WO-2008094909-A2 QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-07 WO disclosed